[(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;hydrochloride

C4H9ClN6O — CID 158256516

IUPAC[(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;hydrochloride
SMILESCl.Nc1nc(N)nc(NCO)n1
InChIInChI=1S/C4H8N6O.ClH/c5-2-8-3(6)10-4(9-2)7-1-11;/h11H,1H2,(H5,5,6,7,8,9,10);1H
InChIKeyGHISCCZGCKXEDH-UHFFFAOYSA-N
MW192.61 g/mol
LogP-1.18
Rot. Bonds2

About [(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;hydrochloride

[(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;hydrochloride (PubChem CID 158256516) has the molecular formula C4H9ClN6O and a molecular weight of 192.61 g/mol. Its IUPAC name is [(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;hydrochloride.

Molecular Properties

Compound Name[(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;hydrochloride
PubChem CID158256516
Molecular FormulaC4H9ClN6O
Molecular Weight192.61 g/mol
Exact Mass192.05
IUPAC Name[(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;hydrochloride
SMILESCl.Nc1nc(N)nc(NCO)n1
InChIInChI=1S/C4H8N6O.ClH/c5-2-8-3(6)10-4(9-2)7-1-11;/h11H,1H2,(H5,5,6,7,8,9,10);1H
InChIKeyGHISCCZGCKXEDH-UHFFFAOYSA-N
XLogP-1.18
TPSA122.97 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.61
LogP ≤ 5-1.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;1,2,3,4,5,6-hexachlorocyclohexane
CID 88519304
[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]methanol
CID 58571407
deuterio-[(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol
CID 175951264
1-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-3-hydroxypropan-2-one
CID 130130941
[(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;[3-hydroxy-2,2-bis(hydroxymethyl)propyl] dihydrogen phosphate
CID 159835587
12-[(4,6-diamino-1,3,5-triazin-2-yl)amino]dodecan-1-ol
CID 139959880
[[4,6-bis(hydroxymethylamino)-1,3,5-triazin-2-yl]amino]methanol;formaldehyde
CID 70584299
5-[[4-amino-6-[5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentylamino]-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 139460807
2-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 142726691
1-amino-3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propan-2-ol
CID 90384799
2-N-(3-aminopropyl)-1,3,5-triazine-2,4,6-triamine
CID 44590289
2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propane-1,3-diol
CID 90392503

Frequently Asked Questions

What is the IUPAC name of [(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;hydrochloride?
The IUPAC name of [(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;hydrochloride (CID 158256516) is [(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;hydrochloride.
What is the SMILES notation for [(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;hydrochloride?
The canonical SMILES for [(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;hydrochloride is Cl.Nc1nc(N)nc(NCO)n1.
What is the InChIKey of [(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;hydrochloride?
The InChIKey is GHISCCZGCKXEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N6O.ClH/c5-2-8-3(6)10-4(9-2)7-1-11;/h11H,1H2,(H5,5,6,7,8,9,10);1H.
What are the key properties of [(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;hydrochloride?
[(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;hydrochloride has a molecular weight of 192.61 g/mol, XLogP of -1.18, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(4,6-diamino-1,3,5-triazin-2-yl)amino]methanol;hydrochloride is sourced from PubChem (CID 158256516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).